N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide

C15H12FN3O — CID 9098665

IUPACN-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
SMILESN#Cc1ccc(NC(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN3O/c16-12-3-7-13(8-4-12)18-10-15(20)19-14-5-1-11(9-17)2-6-14/h1-8,18H,10H2,(H,19,20)
InChIKeyLFFNBQLIOJLKNK-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.75
Rot. Bonds4

About N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide

N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide (PubChem CID 9098665) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
PubChem CID9098665
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC NameN-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
SMILESN#Cc1ccc(NC(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN3O/c16-12-3-7-13(8-4-12)18-10-15(20)19-14-5-1-11(9-17)2-6-14/h1-8,18H,10H2,(H,19,20)
InChIKeyLFFNBQLIOJLKNK-UHFFFAOYSA-N
XLogP2.75
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide
CID 9099605
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49280558
2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 86825970
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(5-chloro-2-fluorophenyl)-2-(4-cyanoanilino)acetamide
CID 51183099
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 37221907
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237
N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
CID 26437461
N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide
CID 39381074
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide (CID 9098665) is N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide is N#Cc1ccc(NC(=O)CNc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide?
The InChIKey is LFFNBQLIOJLKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-3-7-13(8-4-12)18-10-15(20)19-14-5-1-11(9-17)2-6-14/h1-8,18H,10H2,(H,19,20).
What are the key properties of N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide?
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide has a molecular weight of 269.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 9098665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).